[4-(isoquinoline-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[4-(isoquinoline-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
[4-(isoquinoline-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Compound characteristics
Compound ID: | M248-0656 |
Compound Name: | [4-(isoquinoline-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone |
Molecular Weight: | 401.46 |
Molecular Formula: | C24 H23 N3 O3 |
Smiles: | C1CCN(C1)C(c1ccc2c(CN(CCO2)C(c2c3ccccc3ccn2)=O)c1)=O |
Stereo: | ACHIRAL |
logP: | 2.7902 |
logD: | 2.7902 |
logSw: | -3.2577 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 51.392 |
InChI Key: | FTXKZMSHYBLWAQ-UHFFFAOYSA-N |